CID 80366

2,2,2-trifluoroethyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₃H₂F₆O₃S

SMILES

C(C(F)(F)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2

InChIKey

RTMMSCJWQYWMNK-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 11593
Patents: 231.96289 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.97017	133.8
[M+Na]+	254.95211	143.7
[M-H]-	230.95561	127.1
[M+NH4]+	249.99671	151.8
[M+K]+	270.92605	142.0
[M+H-H2O]+	214.96015	124.9
[M+HCOO]-	276.96109	143.3
[M+CH3COO]-	290.97674	183.3
[M+Na-2H]-	252.93756	138.1
[M]+	231.96234	129.4
[M]-	231.96344	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe